Ag4Br(ClF)2
Alexandria ALEXAlex-ID: agm004557752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_255_spg12
Ag2BrF2 AgCl
2022-06-19 13:39:39.304049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004557752).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004557752
data_agm004557752
_cell_length_a 3.88656
_cell_length_b 9.19266
_cell_length_c 6.21835
_cell_angle_alpha 87.39716
_cell_angle_beta 90.00000
_cell_angle_gamma 102.20410
_cell_volume 216.91258
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag1 Ag 0.77416 0.54832 0.76040 1.00000
Ag2 Ag 0.22584 0.45168 0.23960 1.00000
Ag3 Ag 0.41319 0.82638 0.19415 1.00000
Ag4 Ag 0.58681 0.17362 0.80585 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.85223 0.70446 0.42061 1.00000
Cl2 Cl 0.14777 0.29554 0.57939 1.00000
F1 F 0.31191 0.62382 0.95057 1.00000
F2 F 0.68809 0.37618 0.04943 1.00000
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